CAS RN: 878475-30-0
Isosalviamine B
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250510 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS878475-30-0
- Purity/Analytical Methods: >99.0%
878475-30-0 / 5,9,17-trimethyl-3,8-dioxa-10-azapentacyclo[10.8.0.02,6.07,11.013,18]icosa-1(12),2(6),4,7(11),9,13,15,17,19-nonaene
Basic Information
CAS
878475-30-0
Multi CAS
Yes
Molecular Formula
C20H15NO2
Molecular Weight
301.300000
Exact Mass
301.110279
InChI
InChI=1S/C20H15NO2/c1-10-5-4-6-14-13(10)7-8-15-17(14)18-20(23-12(3)21-18)16-11(2)9-22-19(15)16/h4-9H,1-3H3
InChIKey
IVRVVMSJCWUYKG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
20
Fraction Csp3
0.15
H-bond acceptors
3
Molar refractivity
93
TPSA
39.17
LogP / Solubility
WLOGP
5.81
MLOGP
5.12
XLogP3
5.8
Consensus LogP
5.58
Log S (ESOL)
-6.01
Class (ESOL)
Insoluble
Log S (Ali)
-6.22
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.44
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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